D021-0082 Screening compound: 1-(3-chloro-4-methoxyphenyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

D021-0082 Screening compound: 1-(3-chloro-4-methoxyphenyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
D021-0082 Screening compound: 1-(3-chloro-4-methoxyphenyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D021-0082
1-(3-chloro-4-methoxyphenyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D021-0082

Molecular Formula

C20H13ClN4O3 (C20 H13 ClN4 O3)

Compound Name

1-(3-chloro-4-methoxyphenyl)-10-methyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

7-(3-chloro-4-methoxyphenyl)-11-methyl-26-dioxo-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carbonitrile

SMILES

CC(C1=NC(N(c(cc2)cc(Cl)c2OC)C2=O)=C3C=C2C#N)=CC=CN1C3=O

InChI

InChI=1S/C20H13ClN4O3/c1-11-4-3-7-24-17(11)23-18-14(20(24)27)8-12(10-22)19(26)25(18)13-5-6-16(28-2)15(21)9-13/h3-9H,1-2H3

InChI Key

MOBGBADQMBTBFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.96

Polar Surface Area

63.670

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with D021-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D021-0082?
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What is the minimum amount of D021-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D021-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D021-0082
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D021-0082 available by request